(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium

C16H16N4O6S — CID 163183674

IUPAC(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium
SMILESCC(=O)NS(=O)(=O)c1ccc(N/N=[N+](\[O-])c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16N4O6S/c1-11(21)18-27(25,26)15-8-4-13(5-9-15)17-19-20(24)14-6-2-12(3-7-14)10-16(22)23/h2-9,17H,10H2,1H3,(H,18,21)(H,22,23)/b20-19-
InChIKeyUVMDQRIAOPVAAH-VXPUYCOJSA-N
MW392.39 g/mol
LogP1.76
Rot. Bonds7

About (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium

(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium (PubChem CID 163183674) has the molecular formula C16H16N4O6S and a molecular weight of 392.39 g/mol. Its IUPAC name is (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium
PubChem CID163183674
Molecular FormulaC16H16N4O6S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC Name(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium
SMILESCC(=O)NS(=O)(=O)c1ccc(N/N=[N+](\[O-])c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16N4O6S/c1-11(21)18-27(25,26)15-8-4-13(5-9-15)17-19-20(24)14-6-2-12(3-7-14)10-16(22)23/h2-9,17H,10H2,1H3,(H,18,21)(H,22,23)/b20-19-
InChIKeyUVMDQRIAOPVAAH-VXPUYCOJSA-N
XLogP1.76
TPSA151.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium?
The IUPAC name of (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium (CID 163183674) is (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium.
What is the SMILES notation for (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium?
The canonical SMILES for (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium is CC(=O)NS(=O)(=O)c1ccc(N/N=[N+](\[O-])c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium?
The InChIKey is UVMDQRIAOPVAAH-VXPUYCOJSA-N. The full InChI is InChI=1S/C16H16N4O6S/c1-11(21)18-27(25,26)15-8-4-13(5-9-15)17-19-20(24)14-6-2-12(3-7-14)10-16(22)23/h2-9,17H,10H2,1H3,(H,18,21)(H,22,23)/b20-19-.
What are the key properties of (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium?
(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium has a molecular weight of 392.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium is sourced from PubChem (CID 163183674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).